Known targets — ChEMBL curated mechanism
ADRA2AADRA2BADRA2CADRB2AGTR1AVPR1AAVPR1BAVPR2BDKRB2CALCRCHRNA3CHRNB4ESR1ESR2GHSRGNRHRGSC1HSPA8MALT1MC1RMC4RNOS1NOS2NOS3OPRK1OXTRRAMP1RAMP2RAMP3SCN5ASSTR1SSTR2SSTR3SSTR4SSTR5dacAdacBdacCfolPftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Acetic Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACMSD | Q8TDX5 | 2/20 | 0.55 |
| ▸ | TTR | P02766 | 2/20 | 0.55 |
| ▸ | CA1 | P00915 | 2/20 | 0.55 |
| ▸ | CA2 | P00918 | 2/20 | 0.55 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.55 |
| ▸ | HPGD | P15428 | 2/20 | 0.55 |
| ▸ | MEN1 | O00255 | 1/20 | 0.55 |
| ▸ | USP2 | O75604 | 1/20 | 0.55 |
| ▸ | DHFR | P00374 | 1/20 | 0.55 |
| ▸ | LMNA | P02545 | 1/20 | 0.55 |
| ▸ | ALB | P02768 | 1/20 | 0.55 |
| ▸ | HMGB1 | P09429 | 1/20 | 0.55 |
| ▸ | CXCL12 | P48061 | 1/20 | 0.55 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.55 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.55 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.55 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.55 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.39 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.36 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL3807219 | 0.97 | ACMSD (0.55) | ACMSDTTRCA1CA2KDM4E | |
| Hydrochloric Acid SCHEMBL15392057 | 0.97 | ACMSD (0.55) | ACMSDTTRCA1CA2KDM4E | |
| SCHEMBL25349295 | 0.84 | MEN1 (0.40) | ACMSDTTRCA1CA2KDM4E | |
| Hydrochloric Acid SCHEMBL29163811 | 0.84 | MEN1 (0.40) | ACMSDTTRCA1CA2KDM4E | |
| SCHEMBL25349268 | 0.83 | CFD (0.46) | ACMSDTTRCA1CA2KDM4E | |
| SCHEMBL9893394 | 0.82 | CA1 (0.64) | ACMSDTTRCA1CA2KDM4E | |
| SCHEMBL10888678 | 0.80 | ACMSD (0.61) | ACMSDTTRCA1CA2KDM4E | |
| SCHEMBL28317634 | 0.79 | ACMSD (0.60) | ACMSDTTRCA1CA2KDM4E | |
| SCHEMBL10783826 | 0.78 | CA1 (0.53) | ACMSDTTRCA1CA2KDM4E | |
| SCHEMBL1818476 | 0.77 | CA1 (0.64) | ACMSDTTRCA1CA2KDM4E |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105439877-B | The prodrug of positively charged water-soluble Diflunisal and related compound | 于崇曦 | 2019-07-23 | — | — | CN | claimed |
| CN-105439877-B | The prodrug of positively charged water-soluble Diflunisal and related compound | 于崇曦 | 2019-07-23 | — | — | CN | disclosed |
| CN-105439877-A | Positively charged water-soluble prodrug of diflunisal and related compound | YU CHONGXI | 2016-03-30 | — | — | CN | disclosed |
| CN-101500983-B | Positively charged water-soluble prodrugs of diflunisal and related compounds with fast skin penetration rate | YU CHONGXI (US) | 2015-09-16 | — | — | CN | disclosed |